8-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

C6H10N4O — CID 45088415

IUPAC8-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
SMILESCN1CCCn2c1n[nH]c2=O
InChIInChI=1S/C6H10N4O/c1-9-3-2-4-10-5(9)7-8-6(10)11/h2-4H2,1H3,(H,8,11)
InChIKeyJMGQEEKPXYWJHP-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.59
Rot. Bonds

About 8-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one

8-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one (PubChem CID 45088415) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 8-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one.

Molecular Properties

Compound Name8-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
PubChem CID45088415
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name8-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one
SMILESCN1CCCn2c1n[nH]c2=O
InChIInChI=1S/C6H10N4O/c1-9-3-2-4-10-5(9)7-8-6(10)11/h2-4H2,1H3,(H,8,11)
InChIKeyJMGQEEKPXYWJHP-UHFFFAOYSA-N
XLogP-0.59
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The IUPAC name of 8-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one (CID 45088415) is 8-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one.
What is the SMILES notation for 8-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The canonical SMILES for 8-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one is CN1CCCn2c1n[nH]c2=O.
What is the InChIKey of 8-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
The InChIKey is JMGQEEKPXYWJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-9-3-2-4-10-5(9)7-8-6(10)11/h2-4H2,1H3,(H,8,11).
What are the key properties of 8-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one?
8-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one has a molecular weight of 154.17 g/mol, XLogP of -0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one is sourced from PubChem (CID 45088415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).